activity
19972018
most citedAdaptive Genetic Algorithm for Crystal Structure Prediction

195 citations · 423 across the 8 of their papers we have counts for

collaborators

8 papers

cond-mat.str-el2018★ 36 cited

Competing Orders and Ultrafast Energy Transfer at the Quantum Limit in a NbSn Superconductor Probed by Terahertz Electrodynamics

X. Yang, X. Zhao, C. Vaswani +10

We report the low-energy electrodynamics of a moderately clean A15 superconductor (SC) following ultrafast excitation to understand and manipulate terahertz (THz) quasi--particle (…

cond-mat.mtrl-sci2017★ 38 cited

Simulation of alnico coercivity

Liqin Ke, Ralph Skomski, Todd D. Hoffmann +6

Micromagnetic simulations of alnico show substantial deviations from Stoner-Wohlfarth behavior due to the unique size and spatial distribution of the rod-like Fe-Co phase formed du…

cond-mat.mtrl-sci2015★ 130 cited

Electronic and optical properties of novel carbon allotropes

Zhanyu Wang, R. J. Zhang, Y. X. Zheng +7

The phonon properties, electronic structures and optical properties of novel carbon allotropes, such as monolayer penta-graphene (PG), double-layer PG and T12-carbon, were explored…

cond-mat.mtrl-sci2013★ 195 cited

Adaptive Genetic Algorithm for Crystal Structure Prediction

S. Q. Wu, M. Ji, C. Z. Wang +5

We present a genetic algorithm (GA) for structural search that combines the speed of structure exploration by classical potentials with the accuracy of density functional theory (D…

cond-mat.mes-hall2011

Electronic and spin transport properties of zigzag graphene nanoribbon mediated by metal adatom: A study by QUAMBO-NEGF approach

G. P. Zhang, Xiaojie Liu, C. Z. Wang +3

Structural and electronic properties, including deformation, magnetic moment, Mulliken population, bond order as well as electronic transport properties, of zigzag graphene nanorib…

cond-mat.str-el2011★ 24 cited

Including many-body screening into self-consistent calculations: Tight-binding model studies with the Gutzwiller approximation

Y. X. Yao, C. Z. Wang, K. M. Ho

We introduce a scheme to include many-body screening processes explicitly into a set of self-consistent equations for electronic structure calculations using the Gutzwiller approxi…

cond-mat.mes-hall2011

Structures and energetics of hydrocarbon molecules in a wide hydrogen chemical potential range

Y. X. Yao, C. Rareshide, T. L. Chan +2

We report a collection of lowest-energy structures of hydrocarbon molecules C_{m}H_{n} (m=1-18; n=0-2m+2). The structures are examined within a wide hydrogen chemical potential ran…

cond-mat.mtrl-sci1997

Dynamic Local Distortions in Ferroelectrics

H. Krakauer, R. Yu, C. -Z. Wang +2

Molecular-dynamics simulations of KNbO reveal preformed dynamic chain-like structures, present even in the paraelectric phase, that are related to the softening of phonon branc…